General Information of the Compound
| Compound ID |
CP0453026
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| Compound Name |
2-N-Propargylamino-1-(4-methylthiophenyl)butane
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| Synonyms |
2-N-Propargylamino-1-(4-methylthiophenyl)butane
CHEMBL1077900
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| Structure |
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| Formula |
C14H19NS
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| Molecular Weight |
233.38
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| Canonical SMILES |
CCC(Cc1ccc(SC)cc1)NCC#C
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| InChI |
InChI=1S/C14H19NS/c1-4-10-15-13(5-2)11-12-6-8-14(16-3)9-7-12/h1,6-9,13,15H,5,10-11H2,2-3H3
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| InChIKey |
LQQBIFPYEKWTOI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound